Fig. 5: Computational studies of the chagre separation. | Nature Communications

Fig. 5: Computational studies of the chagre separation.

From: Ground-state charge transfer in single-molecule junctions covalent organic frameworks for boosting photocatalytic hydrogen evolution

Fig. 5

Electrostatic surface potential (ESP) distributions of (A) FOOCOF and (B) FOOCOF-PDI, blue and red represented electron accumulation and depletion, respectively. C Electric potential along X axile for (100) plane. D Exciton binding energies and electron-hole distributions of (D) FOOCOF and (E) FOOCOF-PDI, blue and green represent positive and negative phases. TD-DFT calculated electronic transition of (F) FOOCOF and (G) FOOCOF-PDI, blue and green represent positive and negative phases.

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